6QR8

Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	74.850, 76.329, 86.381
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.198 - 2.150
R-factor	0.188
Rwork	0.186
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.008
RMSD bond angle	1.074
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.330	76.330	2.260
High resolution limit [Å]	2.150	6.790	2.150
Rmerge	0.134	0.055	1.050
Rmeas	0.142	0.058	1.110
Rpim	0.046	0.019	0.354
Total number of observations	260273
Number of reflections	27662	985	3976
<I/σ(I)>	10.6
Completeness [%]	100.0	99.8	100
Redundancy	9.4	8.1	9.5
CC(1/2)	0.998	0.999	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.08M Sodium cacodylate pH 6.5 -7.0, 1-2 M Ammonium sulphate